Zinc in PDB 2gwg: Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66.

The structure of Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66., PDB code: 2gwg was solved by F.Forouhar, M.Abashidze, S.Jayaraman, K.Cunningham, M.Ciao, L.Ma, R.Xiao, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structuralgenomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.79 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.086, 55.335, 97.166, 90.00, 90.26, 90.00
R / Rfree (%)	18.1 / 20.8

The binding sites of Zinc atom in the Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66. (pdb code 2gwg). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66., PDB code: 2gwg:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:20.2 occ:1.00 NE2 A:HIS8 2.2 19.3 1.0 NE2 A:HIS6 2.2 18.0 1.0 O A:HOH506 2.4 30.9 1.0 NE2 A:HIS178 2.4 35.4 1.0 OE1 A:GLU284 2.5 32.0 1.0 O A:HOH686 2.6 40.0 1.0 CD2 A:HIS178 2.9 32.2 1.0 CD2 A:HIS8 2.9 20.2 1.0 CE1 A:HIS6 3.1 17.5 1.0 CD A:GLU284 3.2 29.8 1.0 CD2 A:HIS6 3.3 15.9 1.0 CE1 A:HIS8 3.4 20.9 1.0 CE1 A:HIS178 3.7 35.1 1.0 OE2 A:GLU284 3.8 32.2 1.0 CG A:GLU284 4.2 24.0 1.0 CG A:HIS8 4.2 18.8 1.0 CG A:HIS178 4.2 30.6 1.0 ND1 A:HIS6 4.3 15.3 1.0 ND1 A:HIS8 4.3 19.4 1.0 CG A:HIS6 4.4 14.6 1.0 O A:HOH486 4.5 47.0 1.0 ND1 A:HIS178 4.6 32.7 1.0 O A:HOH687 4.6 39.9 1.0 NE2 A:HIS223 4.9 21.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:16.9 occ:1.00 NE2 B:HIS6 2.2 14.5 1.0 NE2 B:HIS8 2.2 15.2 1.0 NE2 B:HIS178 2.3 30.0 1.0 O B:HOH551 2.3 34.7 1.0 OE2 B:GLU284 2.5 30.7 1.0 CD2 B:HIS178 2.8 28.6 1.0 CD2 B:HIS8 2.9 15.9 1.0 CE1 B:HIS6 3.1 16.5 1.0 CD B:GLU284 3.1 26.8 1.0 CD2 B:HIS6 3.2 14.5 1.0 CE1 B:HIS8 3.3 17.1 1.0 CE1 B:HIS178 3.6 31.5 1.0 OE1 B:GLU284 3.7 28.6 1.0 O B:HOH552 3.9 40.2 1.0 CG B:GLU284 3.9 22.0 1.0 CG B:HIS178 4.1 26.7 1.0 CG B:HIS8 4.2 14.8 1.0 ND1 B:HIS6 4.2 13.7 1.0 CG B:HIS6 4.3 13.5 1.0 ND1 B:HIS8 4.3 14.3 1.0 O B:HOH643 4.3 39.9 1.0 ND1 B:HIS178 4.4 29.7 1.0 O B:HOH589 4.6 26.4 1.0 O B:HOH553 4.7 29.6 1.0 NE2 B:HIS223 5.0 18.0 1.0

F.Forouhar, M.Abashidze, S.Jayaraman, K.Cunningham, M.Ciao, L.Ma, R.Xiao, T.B.Acton, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg). Crystal Structure of 4-Oxalomesaconate Hydratase, Ligj, From Rhodopseudomonas Palustris, Northeast Structural Genomics Target RPR66 To Be Published.